UCSF

ZINC58377915

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 27 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) 1.21 8.52 -114.34 2 7 2 68 375.517 7
Hi High (pH 8-9.5) 1.21 6.12 -47.68 1 7 1 67 374.509 7

Activity (Go SEA)

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