UCSF

ZINC70614411

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) 3.34 8.3 -114.24 3 2 2 21 226.408 6
Mid Mid (pH 6-8) 3.34 6.41 -36.22 2 2 1 20 225.4 6
Mid Mid (pH 6-8) 3.34 6.93 -33.21 2 2 1 16 225.4 6

Activity (Go SEA)

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