UCSF

ZINC37052559

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.25 2.37 -44.85 1 7 -1 114 311.27 4
Mid Mid (pH 6-8) 2.25 1.96 -12.13 2 7 0 112 312.278 4

Activity (Go SEA)

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