UCSF

ZINC13552612

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 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) 2.58 7.06 -60.49 0 7 -1 82 435.5 8
Mid Mid (pH 6-8) 3.03 8.8 -45.59 2 7 1 81 437.516 7
Mid Mid (pH 6-8) 2.00 9.33 -47.81 1 7 1 77 437.516 8
Mid Mid (pH 6-8) 2.58 9.39 -79.55 1 7 0 83 436.508 8

Activity (Go SEA)

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