UCSF

ZINC07126846

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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 10.23 -49.38 4 8 1 113 323.336 2 ↓
Mid Mid (pH 6-8) 2.76 9.78 -19.05 3 8 0 114 322.328 2 ↓
Mid Mid (pH 6-8) 2.76 10.28 -46.97 4 8 1 116 323.336 2 ↓

Activity (Go SEA)

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