UCSF

ZINC33768581

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 39 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) 4.31 12.59 -59.09 0 8 -1 97 530.597 13
Lo Low (pH 4.5-6) 4.31 11.3 -22.47 1 8 0 95 531.605 13

Activity (Go SEA)

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