UCSF

ZINC44624110

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 3.23 6.96 -39.29 2 3 1 34 252.769 4
Hi High (pH 8-9.5) 3.23 6.23 -5.92 1 3 0 30 251.761 4
Lo Low (pH 4.5-6) 3.23 7.48 -102.6 3 3 2 36 253.777 4

Activity (Go SEA)

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