UCSF

ZINC36804382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 No

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) 1.82 7.33 -59.03 2 6 1 89 253.278 7
Mid Mid (pH 6-8) 1.82 6.21 -10.39 1 6 0 84 252.27 7

Activity (Go SEA)

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