UCSF

ZINC32141271

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 1.06 1.5 -8.26 2 5 0 64 288.347 7
Lo Low (pH 4.5-6) 1.06 3.02 -52.81 3 5 1 68 289.355 7
Lo Low (pH 4.5-6) 1.06 1.93 -39.2 3 5 1 65 289.355 7

Activity (Go SEA)

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