UCSF

ZINC33935229

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 21 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) 1.74 4.53 -46.8 3 4 1 59 306.386 4
Hi High (pH 8-9.5) 1.74 3.3 -7.62 2 4 0 54 305.378 4

Activity (Go SEA)

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