UCSF

ZINC32707978

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 26 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) 0.81 10.12 -119.52 0 8 -2 129 393.398 7
Lo Low (pH 4.5-6) 0.81 8.12 -52.74 1 8 -1 126 394.406 7

Activity (Go SEA)

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