UCSF

ZINC11690447

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2008 24 No

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) 4.86 11.12 -6.59 1 3 0 41 338.476 3
Mid Mid (pH 6-8) 4.86 10.43 -40.7 0 3 -1 44 337.468 4
Lo Low (pH 4.5-6) 4.86 10.88 -11.38 1 3 0 41 338.476 4

Activity (Go SEA)

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