UCSF

ZINC04384370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 11 Yes

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) -0.10 4.42 -44.42 0 4 -1 58 153.161 3
Mid Mid (pH 6-8) -0.10 4.88 -40.09 1 4 0 59 154.169 3

Activity (Go SEA)

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