UCSF

ZINC34689376

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 15 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) 0.74 2.43 -32.49 3 4 1 55 215.317 4
Hi High (pH 8-9.5) 0.74 1.11 -5.99 2 4 0 50 214.309 4

Activity (Go SEA)

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