UCSF

ZINC45654708

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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 3.06 -51.65 4 5 1 68 289.403 4
Hi High (pH 8-9.5) 1.99 2.15 -7.26 3 5 0 64 288.395 4
Mid Mid (pH 6-8) 1.99 4.48 -40.37 4 5 1 65 289.403 4

Activity (Go SEA)

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