UCSF

ZINC34960498

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 2.11 5.67 -91.71 4 3 2 35 257.466 9
Hi High (pH 8-9.5) 2.11 3.49 -42.53 3 3 1 34 256.458 9
Lo Low (pH 4.5-6) 2.11 7.69 -197.96 5 3 3 37 258.474 9

Activity (Go SEA)

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