UCSF

ZINC13281572

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 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) 0.12 4.06 -12.19 0 5 0 73 256.309 4
Lo Low (pH 4.5-6) 0.12 5.67 -128.01 2 5 2 75 258.325 4

Activity (Go SEA)

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