UCSF

ZINC09409677

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 32 Yes

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) 5.34 9.27 -11.29 2 6 0 77 430.504 7
Ref Reference (pH 7) 5.34 9.1 -12.24 2 6 0 77 430.504 7
Hi High (pH 8-9.5) 5.34 9.93 -50.43 1 6 -1 79 429.496 7
Hi High (pH 8-9.5) 5.34 9.87 -59.02 1 6 -1 79 429.496 7

Activity (Go SEA)

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