UCSF

ZINC44723373

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) 0.17 1.89 -95.47 4 4 2 51 206.33 8
Hi High (pH 8-9.5) 0.17 0.67 -34.59 3 4 1 46 205.322 8
Mid Mid (pH 6-8) 0.17 2.47 -38.11 3 4 1 53 205.322 8

Activity (Go SEA)

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