UCSF

ZINC08854935

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 31 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) 6.88 13.63 -33.28 3 3 1 50 421.545 5
Mid Mid (pH 6-8) 6.88 13.09 -9.94 2 3 0 49 420.537 5

Activity (Go SEA)

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