UCSF

ZINC04955330

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 30 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) 3.71 8.68 -63.76 0 6 -1 79 408.474 8
Mid Mid (pH 6-8) 4.16 0.1 -29.49 1 6 0 76 409.482 7
Mid Mid (pH 6-8) 3.13 0.4 -23.99 0 6 0 72 409.482 8

Activity (Go SEA)

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