UCSF

ZINC34601961

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 3.98 9.23 -52.6 1 6 -1 87 381.452 9
Mid Mid (pH 6-8) 3.98 9.73 -59.46 2 6 0 89 382.46 9

Activity (Go SEA)

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