UCSF

ZINC31903668

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 32 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) 2.58 11.41 -21.96 0 7 0 68 432.524 5
Mid Mid (pH 6-8) 2.58 11.8 -46.64 1 7 1 69 433.532 5

Activity (Go SEA)

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