UCSF

ZINC35497432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 3.21 7.78 -36.87 2 1 1 17 238.401 3
Mid Mid (pH 6-8) 3.21 6.52 -3.76 1 1 0 12 237.393 3

Activity (Go SEA)

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