UCSF

ZINC00154229

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 3.43 1.87 -11.22 0 3 0 26 238.29 2
Mid Mid (pH 6-8) 3.43 2.11 -28.31 1 3 1 27 239.298 2

Activity (Go SEA)

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