UCSF

ZINC04311397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 23 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) 3.26 6.15 -56.68 1 4 -1 69 326.759 3
Mid Mid (pH 6-8) 3.71 -1.81 -10.44 2 4 0 66 327.767 2
Mid Mid (pH 6-8) 2.68 -2.08 -10.94 1 4 0 63 327.767 3

Activity (Go SEA)

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