UCSF

ZINC36073629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 35 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) 3.89 5.32 -9.39 1 7 0 71 476.621 11
Mid Mid (pH 6-8) 3.89 7.96 -48.79 2 7 1 72 477.629 11
Lo Low (pH 4.5-6) 3.89 7.58 -49.22 2 7 1 72 477.629 11

Activity (Go SEA)

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