UCSF

ZINC13552250

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 30 No

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) -3.82 2.16 -379.62 3 17 -4 270 487.151 8
Mid Mid (pH 6-8) -3.82 1.01 -240.55 4 17 -3 267 488.159 8

Activity (Go SEA)

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