UCSF

ZINC32096716

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 21 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) 2.57 7.13 -37.89 0 6 -1 79 384.26 4
Lo Low (pH 4.5-6) 2.57 7.06 -15.71 1 6 0 77 385.268 4

Activity (Go SEA)

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