UCSF

ZINC34463532

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 26 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) 4.84 10.63 -54.89 2 4 -1 79 339.374 3
Lo Low (pH 4.5-6) 4.84 11.01 -43.99 3 4 0 80 340.382 3

Activity (Go SEA)

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