UCSF

ZINC44246939

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 12 No

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) 2.01 1.56 -37.35 1 4 -1 67 194.276 7
Mid Mid (pH 6-8) 2.01 1.08 -10.04 2 4 0 69 195.284 7

Activity (Go SEA)

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