UCSF

ZINC34975980

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) 3.18 4.29 -8.4 2 4 0 65 305.131 2
Lo Low (pH 4.5-6) 3.18 4.49 -29.49 3 4 1 66 306.139 2

Activity (Go SEA)

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