UCSF

ZINC53147914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 3.38 7.78 -35.3 2 2 1 16 267.824 3
Mid Mid (pH 6-8) 3.38 6.52 -41.02 2 2 1 20 267.824 3
Lo Low (pH 4.5-6) 3.38 8.8 -107.62 3 2 2 21 268.832 3

Activity (Go SEA)

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