UCSF

ZINC37269040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 3.53 7.09 -35.13 2 3 1 35 317.247 9
Hi High (pH 8-9.5) 3.53 5.64 -3.84 1 3 0 30 316.239 9

Activity (Go SEA)

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