UCSF

ZINC09334053

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 36 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)-methylene]-5-(4-hydroxy-3-methoxy 1-(3-dimethylaminopropyl)-4-[hyd…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 9.92 -74.95 2 8 0 104 496.604 11 ↓
Mid Mid (pH 6-8) 3.57 10.16 -47.95 3 8 1 101 497.612 11 ↓
Mid Mid (pH 6-8) 2.99 0.48 -50.11 2 8 1 97 497.612 11 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )