UCSF

ZINC36977559

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 2.42 3.58 -38.54 4 4 1 66 263.361 3
Hi High (pH 8-9.5) 2.42 3.55 -7.84 3 4 0 61 262.353 3

Activity (Go SEA)

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