UCSF

ZINC33621270

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 24 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) 5.02 12.74 -57.68 0 3 -1 53 314.364 2
Mid Mid (pH 6-8) 5.02 12.73 -42.64 1 3 0 54 315.372 2

Activity (Go SEA)

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