UCSF

ZINC37859113

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 19 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) 0.56 2.22 -49.09 2 6 1 75 306.433 3
Mid Mid (pH 6-8) 1.01 0.09 -64.13 1 6 0 78 305.425 3

Activity (Go SEA)

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