UCSF

ZINC35309337

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 22 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) 5.53 12.67 -9.13 0 2 0 17 349.231 2
Lo Low (pH 4.5-6) 5.53 13.11 -30.62 1 2 1 19 350.239 2

Activity (Go SEA)

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