UCSF

ZINC36135028

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 17 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) 1.42 4.12 -37.31 2 4 1 46 241.355 2
Hi High (pH 8-9.5) 1.42 2.89 -6.64 1 4 0 42 240.347 2

Activity (Go SEA)

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