UCSF

ZINC37368646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 2.40 2.62 -11.2 4 6 0 97 357.233 4
Mid Mid (pH 6-8) 2.40 3.18 -40.74 4 6 0 100 357.233 4
Mid Mid (pH 6-8) 2.40 2.69 -44.88 3 6 -1 99 356.225 4

Activity (Go SEA)

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