UCSF

ZINC36746582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) -0.38 2.53 -49.28 3 6 0 95 223.232 5
Mid Mid (pH 6-8) -0.38 2.06 -53.69 2 6 -1 94 222.224 5

Activity (Go SEA)

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