UCSF

ZINC36354832

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 28 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) 3.15 7.81 -13.94 1 6 0 69 373.412 5
Ref Reference (pH 7) 2.97 10.48 -13.67 1 6 0 65 373.412 5
Lo Low (pH 4.5-6) 2.97 10.94 -45.49 2 6 1 67 374.42 5

Activity (Go SEA)

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