UCSF

ZINC34678596

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 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) 2.40 9.91 -49.59 1 6 1 52 411.522 5
Hi High (pH 8-9.5) 2.40 7.52 -14.22 0 6 0 51 410.514 5

Activity (Go SEA)

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