UCSF

ZINC20384198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 2.79 11.49 -51.53 2 8 1 76 499.705 8
Mid Mid (pH 6-8) 2.79 13.82 -119.11 3 8 2 77 500.713 8
Lo Low (pH 4.5-6) 2.79 11.53 -56.71 2 8 1 76 499.705 8

Activity (Go SEA)

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