UCSF

ZINC34977492

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 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) 3.41 6.9 -11.28 3 7 0 80 433.556 6
Mid Mid (pH 6-8) 3.41 9.12 -50 4 7 1 82 434.564 6

Activity (Go SEA)

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