UCSF

ZINC31965375

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 1.12 6.95 -55.15 0 6 -1 78 274.3 4
Lo Low (pH 4.5-6) 1.12 7.35 -63.94 1 6 0 79 275.308 4

Activity (Go SEA)

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