UCSF

ZINC37051877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.12 8.7 -36.64 2 4 1 34 293.479 7
Mid Mid (pH 6-8) 2.12 6.18 -37.85 2 4 1 38 293.479 7
Mid Mid (pH 6-8) 2.12 9.06 -115.53 3 4 2 39 294.487 7

Activity (Go SEA)

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