UCSF

ZINC32125572

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.14 3.18 -5.13 1 4 0 34 278.396 7
Mid Mid (pH 6-8) 2.14 4.59 -48.21 2 4 1 38 279.404 7
Lo Low (pH 4.5-6) 2.14 5.5 -40.16 2 4 1 35 279.404 7

Activity (Go SEA)

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