UCSF

ZINC35581096

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 15 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) 3.95 7.8 -33.3 2 1 1 17 238.401 5
Mid Mid (pH 6-8) 3.95 6.58 -3.16 1 1 0 12 237.393 5

Activity (Go SEA)

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