UCSF

ZINC23335117

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 35 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) 2.90 8.26 -18.22 1 8 0 92 473.577 6
Mid Mid (pH 6-8) 2.90 10.59 -58.38 2 8 1 93 474.585 6

Activity (Go SEA)

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