UCSF

ZINC00985832

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 32 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) 3.84 7.03 -11.66 3 7 0 106 430.508 6
Mid Mid (pH 6-8) 3.84 6.37 -10.96 3 7 0 106 430.508 6
Lo Low (pH 4.5-6) 3.84 7.31 -60.87 4 7 1 108 431.516 6

Activity (Go SEA)

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