UCSF

ZINC42597617

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 12 Yes

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) 1.53 6.19 -104.61 3 2 2 21 172.316 4
Mid Mid (pH 6-8) 1.53 3.67 -32.18 2 2 1 20 171.308 4
Mid Mid (pH 6-8) 1.53 6.01 -28.14 2 2 1 16 171.308 4

Activity (Go SEA)

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