UCSF

ZINC06160053

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2006 31 No

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) 6.79 14.25 -60.16 0 4 -1 60 418.557 9
Mid Mid (pH 6-8) 7.23 2.62 -17.3 1 4 0 57 419.565 8

Activity (Go SEA)

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