UCSF

ZINC40003262

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 37 No

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) 2.79 10.95 -62.28 0 10 -1 130 516.559 7
Lo Low (pH 4.5-6) 2.79 10.19 -21.08 1 10 0 127 517.567 7

Activity (Go SEA)

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