UCSF

ZINC36816221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) -0.57 2.42 -24.6 1 7 0 92 253.258 4
Mid Mid (pH 6-8) -0.12 0.7 -64.59 0 7 -1 95 252.25 4

Activity (Go SEA)

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