UCSF

ZINC13131018

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 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) 3.01 9.2 -15.62 0 6 0 65 305.341 3
Mid Mid (pH 6-8) 3.02 9.76 -31.21 2 6 1 70 306.349 3
Mid Mid (pH 6-8) 3.01 9.51 -41.4 1 6 1 67 306.349 3

Activity (Go SEA)

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