UCSF

ZINC36722693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 17 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) -0.08 7.42 -38.98 2 6 0 103 238.243 6
Hi High (pH 8-9.5) -0.08 6.23 -42.89 1 6 -1 98 237.235 6

Activity (Go SEA)

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