UCSF

ZINC01477250

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 26 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) 4.58 7.06 -11.27 3 4 0 69 346.361 3
Mid Mid (pH 6-8) 4.58 7.51 -35.08 4 4 1 70 347.369 3
Mid Mid (pH 6-8) 3.90 9.49 -102.91 2 4 -1 72 345.353 2
Mid Mid (pH 6-8) 4.58 6.97 -12.11 3 4 0 69 346.361 3

Activity (Go SEA)

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