UCSF

ZINC49613008

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 16 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) 0.13 5.79 -46.18 1 5 1 51 231.316 7
Hi High (pH 8-9.5) 0.13 4.04 -11.16 0 5 0 50 230.308 7

Activity (Go SEA)

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