UCSF

ZINC44688221

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) 2.33 6.03 -39.95 2 2 1 26 212.288 6
Hi High (pH 8-9.5) 2.33 4.79 -4.6 1 2 0 21 211.28 6

Activity (Go SEA)

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