UCSF

ZINC21502784

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 5.47 7.11 -30.29 1 2 -1 35 336.025 3
Mid Mid (pH 6-8) 5.47 6.45 -4.08 2 2 0 32 337.033 3

Activity (Go SEA)

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