UCSF

ZINC42069369

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 14 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) 0.70 1.27 -41.48 3 4 1 55 193.226 2
Mid Mid (pH 6-8) 0.70 -0.07 -6.03 2 4 0 50 192.218 2
Mid Mid (pH 6-8) 0.70 -0.06 -7.84 2 4 0 50 192.218 2

Activity (Go SEA)

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