UCSF

ZINC09410812

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 33 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) 4.98 7.78 -13.76 2 7 0 86 446.503 8
Ref Reference (pH 7) 4.98 7.72 -14.3 2 7 0 86 446.503 8
Hi High (pH 8-9.5) 4.98 8.43 -58.23 1 7 -1 89 445.495 8
Hi High (pH 8-9.5) 4.98 8.55 -49.24 1 7 -1 89 445.495 8

Activity (Go SEA)

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