UCSF

ZINC27311075

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 21 No

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) 3.95 6.23 -9.21 2 4 0 67 290.359 3
Hi High (pH 8-9.5) 3.95 7.03 -46.71 1 4 -1 70 289.351 3

Activity (Go SEA)

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