UCSF

ZINC36720984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 0.11 3.91 -36.95 4 3 1 51 253.341 3
Hi High (pH 8-9.5) 0.11 3.66 -4.55 3 3 0 49 252.333 3

Activity (Go SEA)

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