UCSF

ZINC37098753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 3.07 8.98 -40.76 1 4 0 58 244.294 4
Mid Mid (pH 6-8) 3.07 8.64 -49.41 0 4 -1 56 243.286 4

Activity (Go SEA)

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