UCSF

ZINC34322433

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 22 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) 3.06 3.32 -13.11 2 6 0 90 336.442 3
Hi High (pH 8-9.5) 3.06 3.81 -35.98 1 6 -1 88 335.434 3

Activity (Go SEA)

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