UCSF

ZINC45663848

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.49 10.88 -184.23 4 3 3 25 292.491 8
Mid Mid (pH 6-8) 2.49 9.7 -80.19 3 3 2 21 291.483 8
Lo Low (pH 4.5-6) 2.49 8.66 -95.99 3 3 2 24 291.483 8

Activity (Go SEA)

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