UCSF

ZINC36749336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) 1.98 3.74 -5.14 3 4 0 56 210.325 4
Mid Mid (pH 6-8) 1.98 3.86 -24.4 4 4 1 57 211.333 4

Activity (Go SEA)

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