UCSF

ZINC09374788

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 28 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) 4.16 10.48 -39.66 0 5 -1 70 490.317 7
Mid Mid (pH 6-8) 4.61 9.12 -26.51 1 5 0 67 491.325 6
Mid Mid (pH 6-8) 3.58 -0.69 -20.18 0 5 0 63 491.325 7

Activity (Go SEA)

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