UCSF

ZINC20868242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 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) 3.93 10.67 -16.41 1 4 0 47 349.478 8
Mid Mid (pH 6-8) 3.93 11.07 -36.09 2 4 1 48 350.486 8

Activity (Go SEA)

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