UCSF

ZINC32787347

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 18 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) 6.57 11.91 -45.28 0 2 -1 40 253.406 13
Lo Low (pH 4.5-6) 6.57 10.79 -6.81 1 2 0 37 254.414 13

Activity (Go SEA)

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