UCSF

ZINC34691681

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 31 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) 1.03 3.29 -11.66 1 7 0 65 435.54 9
Mid Mid (pH 6-8) 1.03 5.6 -48.65 2 7 1 67 436.548 9
Mid Mid (pH 6-8) 1.03 5.62 -58.96 2 7 1 67 436.548 9

Activity (Go SEA)

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