UCSF

ZINC37844654

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.68 1.91 -51.34 3 6 -1 97 346.164 3
Mid Mid (pH 6-8) 2.22 3.07 -19.19 4 6 0 94 347.172 3

Activity (Go SEA)

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