UCSF

ZINC39649347

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 24 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) 0.28 8.25 -57.97 1 7 -1 99 351.404 7
Lo Low (pH 4.5-6) 0.28 8.62 -59.93 2 7 0 103 352.412 7

Activity (Go SEA)

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