UCSF

ZINC04059994

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 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) 3.96 -0.9 -8.7 0 6 0 74 434.286 4
Mid Mid (pH 6-8) 4.14 -2.11 -10.22 0 6 0 74 434.286 4
Mid Mid (pH 6-8) 3.96 -1.19 -12.43 0 6 0 74 434.286 4

Activity (Go SEA)

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