UCSF

ZINC37269099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) -1.09 -0.95 -46.25 5 5 1 91 202.278 5
Mid Mid (pH 6-8) -1.09 -1.21 -11.98 4 5 0 89 201.27 5

Activity (Go SEA)

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