UCSF

ZINC34689364

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 17 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) 2.30 6.47 -33.65 2 3 1 37 239.383 1
Hi High (pH 8-9.5) 2.30 5.29 -6.93 1 3 0 32 238.375 1

Activity (Go SEA)

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