UCSF

ZINC36298636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 20 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) 1.54 3.43 -59.17 2 5 0 78 291.376 6
Lo Low (pH 4.5-6) 1.54 3.43 -49.81 3 5 1 76 292.384 6
Lo Low (pH 4.5-6) 1.54 3.89 -72.2 3 5 1 79 292.384 6

Activity (Go SEA)

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