UCSF

ZINC36747303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) -1.66 -0.95 -42.7 4 5 1 80 188.251 5
Hi High (pH 8-9.5) -1.66 -2.14 -12.06 3 5 0 75 187.243 5

Activity (Go SEA)

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