UCSF

ZINC42779507

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 2.43 6.93 -29.95 3 2 1 30 251.419 1
Mid Mid (pH 6-8) 2.43 4.72 -2.26 2 2 0 29 250.411 1
Mid Mid (pH 6-8) 2.43 4.94 -42.91 3 2 1 31 251.419 1

Activity (Go SEA)

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