UCSF

ZINC00135938

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 22 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) 3.45 10.16 -35.17 1 3 1 17 301.385 4
Mid Mid (pH 6-8) 3.45 7.95 -6.36 0 3 0 16 300.377 4

Activity (Go SEA)

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