UCSF

ZINC37428907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) 4.01 5.85 -44.21 3 3 1 50 271.384 4
Mid Mid (pH 6-8) 4.01 5.43 -6.91 2 3 0 48 270.376 4

Activity (Go SEA)

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