UCSF

ZINC21638465

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 0.51 4.14 -45.99 2 8 1 75 363.486 6
Mid Mid (pH 6-8) 0.51 1.76 -11.05 1 8 0 74 362.478 6
Mid Mid (pH 6-8) 0.51 6.49 -93.97 3 8 2 76 364.494 6

Activity (Go SEA)

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