UCSF

ZINC34823557

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 19 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) 1.72 8.04 -41.74 2 4 1 38 259.377 5
Hi High (pH 8-9.5) 1.72 6.55 -5.13 1 4 0 33 258.369 5
Lo Low (pH 4.5-6) 1.72 8.17 -96.79 3 4 2 39 260.385 5

Activity (Go SEA)

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