UCSF

ZINC36271999

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.90 11.9 -44.49 3 5 1 51 390.555 4
Hi High (pH 8-9.5) 3.90 9.62 -10 2 5 0 50 389.547 4
Mid Mid (pH 6-8) 3.90 11.07 -76.22 4 5 2 52 391.563 4
Mid Mid (pH 6-8) 3.90 10.72 -38.7 3 5 1 51 390.555 4

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