UCSF

ZINC34569770

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) 1.78 3.55 -24.61 4 11 0 152 423.47 9
Mid Mid (pH 6-8) 2.24 1.72 -70.59 3 11 -1 155 422.462 9

Activity (Go SEA)

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