UCSF

ZINC37140536

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 1.99 3.43 -45.35 4 4 1 63 341.273 5
Hi High (pH 8-9.5) 1.99 2.47 -8.85 3 4 0 58 340.265 5
Mid Mid (pH 6-8) 1.99 4.68 -40.67 4 4 1 60 341.273 5

Activity (Go SEA)

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