UCSF

ZINC60718741

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 18 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) 2.68 5.99 -38.9 2 2 1 20 255.332 5
Hi High (pH 8-9.5) 2.68 4.79 -2.37 1 2 0 15 254.324 5
Mid Mid (pH 6-8) 2.68 7.15 -42.95 2 2 1 16 255.332 5
Lo Low (pH 4.5-6) 2.68 8.35 -118.53 3 2 2 21 256.34 5

Activity (Go SEA)

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