UCSF

ZINC36268201

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) 0.09 -0.83 -31.72 5 6 1 91 265.337 4
Mid Mid (pH 6-8) 0.09 0.34 -43.26 5 6 1 94 265.337 4
Mid Mid (pH 6-8) 0.09 0.63 -98.54 6 6 2 95 266.345 4
Mid Mid (pH 6-8) 0.09 -1.12 -9.36 4 6 0 89 264.329 4

Activity (Go SEA)

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