UCSF

ZINC41193750

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 17 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) 3.65 7.28 -33.7 2 2 1 29 253.435 4
Hi High (pH 8-9.5) 3.65 6.54 -3.76 1 2 0 25 252.427 4

Activity (Go SEA)

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