UCSF

ZINC09014316

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 24 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) 3.64 7.91 -13.98 1 5 0 72 340.335 2
Ref Reference (pH 7) 4.57 6.64 -13.57 1 5 0 75 340.335 1
Hi High (pH 8-9.5) 3.71 6.5 -39.94 0 5 -1 79 339.327 2

Activity (Go SEA)

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