UCSF

ZINC06265784

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 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) 3.02 5.76 -14.4 2 5 0 75 303.387 5
Hi High (pH 8-9.5) 3.48 3.85 -48.14 1 5 -1 78 302.379 5
Mid Mid (pH 6-8) 3.02 5.17 -20.03 2 5 0 75 303.387 5
Lo Low (pH 4.5-6) 3.21 3.64 -10.57 2 5 0 78 303.387 5
Lo Low (pH 4.5-6) 3.21 3.05 -18.44 2 5 0 78 303.387 5

Activity (Go SEA)

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