UCSF

ZINC37865340

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 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) 2.97 5.29 -27.37 4 3 1 56 194.302 3
Mid Mid (pH 6-8) 2.97 5.15 -4.99 3 3 0 55 193.294 3

Activity (Go SEA)

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