UCSF

ZINC09374653

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 27 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) 3.60 8.86 -59.94 0 5 -1 70 429.29 6
Mid Mid (pH 6-8) 4.04 7.89 -27.28 1 5 0 67 430.298 5
Mid Mid (pH 6-8) 3.01 -0.65 -20.58 0 5 0 63 430.298 6

Activity (Go SEA)

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