UCSF

ZINC36951593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.83 9.23 -33.08 2 4 0 66 258.321 5
Mid Mid (pH 6-8) 3.83 8.95 -60.35 1 4 -1 65 257.313 5

Activity (Go SEA)

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