UCSF

ZINC36680178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.29 5.65 -52.37 2 5 1 70 254.354 6
Hi High (pH 8-9.5) 1.29 4.91 -10.1 1 5 0 65 253.346 6

Activity (Go SEA)

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