UCSF

ZINC34994155

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.05 4.01 -59.14 3 6 1 85 269.321 8
Hi High (pH 8-9.5) 1.05 2.66 -13.13 2 6 0 81 268.313 8

Activity (Go SEA)

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