UCSF

ZINC17532632

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2008 27 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) 4.49 11.06 -12.55 1 6 0 68 372.465 8
Mid Mid (pH 6-8) 4.49 11.16 -52.68 2 6 0 69 373.473 8
Mid Mid (pH 6-8) 3.74 9.65 -47.17 1 6 0 75 372.465 7
Mid Mid (pH 6-8) 3.74 9.68 -44.67 1 6 0 75 372.465 7
Mid Mid (pH 6-8) 3.74 9.66 -46.83 1 6 0 75 372.465 7
Mid Mid (pH 6-8) 3.74 9.69 -44.3 1 6 0 75 372.465 7

Activity (Go SEA)

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