UCSF

ZINC07126838

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2006 24 No

Popular Name: (4-methyl-3-nitro-phenyl)BLAHamine (4-methyl-3-nitro-phenyl)BLAHamine

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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) 2.89 10.24 -49.29 4 8 1 113 323.336 2 ↓
Mid Mid (pH 6-8) 2.76 10.28 -46.87 4 8 1 116 323.336 2 ↓
Mid Mid (pH 6-8) 2.76 9.78 -19.07 3 8 0 114 322.328 2 ↓

Activity (Go SEA)

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