UCSF

ZINC00589498

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 37 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) 4.13 -4.24 -19.29 3 9 0 109 498.635 8
Lo Low (pH 4.5-6) 4.13 -4.1 -41.87 4 9 1 110 499.643 8

Activity (Go SEA)

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