UCSF

ZINC36706209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 6.55 12.07 -10.58 0 6 0 55 495.689 11
Lo Low (pH 4.5-6) 6.55 14.33 -39.81 1 6 1 56 496.697 11

Activity (Go SEA)

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