UCSF

ZINC13579982

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 23 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) 3.64 4.89 -41.97 1 4 -1 65 376.205 1
Mid Mid (pH 6-8) 3.22 3.28 -13.12 1 4 0 59 377.213 1

Activity (Go SEA)

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