UCSF

ZINC44415147

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 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) 1.05 5.21 -42.1 1 4 0 54 203.282 8
Hi High (pH 8-9.5) 1.05 4.3 -47.59 0 4 -1 53 202.274 8

Activity (Go SEA)

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