UCSF

ZINC37140912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 16 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) 2.04 7.25 -30.22 2 2 1 16 223.384 4
Mid Mid (pH 6-8) 2.04 6.3 -34 2 2 1 20 223.384 4
Lo Low (pH 4.5-6) 2.04 8.5 -98.85 3 2 2 21 224.392 4

Activity (Go SEA)

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