UCSF

ZINC34964328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 No

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) 3.07 1.7 -46.98 0 3 -1 39 229.643 1
Lo Low (pH 4.5-6) 2.34 1.84 -10.31 1 3 0 42 230.651 1

Activity (Go SEA)

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