UCSF

ZINC35661144

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 13 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) -1.09 -1.99 -43.51 5 5 1 86 188.251 4
Hi High (pH 8-9.5) -1.09 -2.34 -8.69 4 5 0 84 187.243 4

Activity (Go SEA)

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