UCSF

ZINC20191005

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 2.74 7.75 -39.53 2 2 1 26 238.326 8
Hi High (pH 8-9.5) 2.74 6.34 -4.32 1 2 0 21 237.318 8

Activity (Go SEA)

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