UCSF

ZINC31972232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 0.20 5.24 -76.83 2 8 0 103 335.36 7
Hi High (pH 8-9.5) 0.20 2.7 -51.23 1 8 -1 102 334.352 7
Lo Low (pH 4.5-6) 0.20 4.12 -52.59 3 8 1 100 336.368 7

Activity (Go SEA)

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