UCSF

ZINC02488652

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 21 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) 0.13 7.93 -34.65 2 6 0 92 311.359 7
Mid Mid (pH 6-8) 0.13 6.95 -48.78 1 6 -1 88 310.351 7

Activity (Go SEA)

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