UCSF

ZINC34387932

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.27 6.95 -57.69 4 4 1 70 370.473 7
Mid Mid (pH 6-8) 1.27 6.65 -10.91 3 4 0 68 369.465 7

Activity (Go SEA)

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