UCSF

ZINC36157418

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 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) 2.39 2.39 -46.04 3 3 1 54 203.265 2
Hi High (pH 8-9.5) 2.39 1.98 -6.16 2 3 0 52 202.257 2

Activity (Go SEA)

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