UCSF

ZINC35677126

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 14 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) -1.95 -0.13 -45.5 5 4 1 72 197.258 4
Mid Mid (pH 6-8) -1.95 0.21 -135.34 6 4 2 74 198.266 4

Activity (Go SEA)

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