UCSF

ZINC00959053

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 25 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) 3.43 11.86 -12.53 1 7 0 78 407.268 6
Lo Low (pH 4.5-6) 3.61 12.07 -51.04 2 7 1 83 408.276 6

Activity (Go SEA)

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