UCSF

ZINC01235282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 25 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) 4.15 9.29 -54.96 1 6 -1 72 351.459 4
Mid Mid (pH 6-8) 3.43 9.45 -17.6 2 6 0 75 352.467 4

Activity (Go SEA)

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