UCSF

ZINC34676387

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 29 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) 4.31 10.69 -11.97 0 4 0 27 436.358 3
Mid Mid (pH 6-8) 4.31 12.84 -41.87 1 4 1 28 437.366 3

Activity (Go SEA)

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