UCSF

ZINC12439718

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 27 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) 2.53 -4.84 -15.4 2 7 0 87 362.437 4
Mid Mid (pH 6-8) 2.53 -4.53 -38.38 3 7 1 88 363.445 4

Activity (Go SEA)

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