UCSF

ZINC42409129

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 11 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) 1.13 5.26 -94.91 3 2 2 21 158.289 4
Hi High (pH 8-9.5) 1.13 3.83 -29.64 2 2 1 16 157.281 4
Mid Mid (pH 6-8) 1.13 3.02 -36.04 2 2 1 20 157.281 4

Activity (Go SEA)

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