UCSF

ZINC44265196

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 2.38 6.67 -18.16 1 4 0 65 220.235 1
Mid Mid (pH 6-8) 2.38 7.14 -37.53 2 4 1 67 221.243 1

Activity (Go SEA)

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