UCSF

ZINC29899225

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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) 1.78 6.55 -14.28 1 7 0 75 406.483 7
Mid Mid (pH 6-8) 1.78 8.87 -53.09 2 7 1 76 407.491 7

Activity (Go SEA)

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