UCSF

ZINC34937131

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 2.96 6.39 -8.62 1 3 0 46 268.769 1
Hi High (pH 8-9.5) 3.42 4.43 -46.71 0 3 -1 49 267.761 1

Activity (Go SEA)

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