UCSF

ZINC42864594

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) 0.42 2.89 -101.24 4 4 2 54 243.376 7
Hi High (pH 8-9.5) 0.42 0.47 -39.57 3 4 1 53 242.368 7
Mid Mid (pH 6-8) 0.42 3.43 -39.52 3 4 1 57 242.368 7

Activity (Go SEA)

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