UCSF

ZINC70614360

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) 3.09 8.55 -112.16 3 2 2 21 226.408 7
Mid Mid (pH 6-8) 3.09 6.47 -36.5 2 2 1 20 225.4 7
Mid Mid (pH 6-8) 3.09 7.18 -32.44 2 2 1 16 225.4 7

Activity (Go SEA)

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