UCSF

ZINC36214899

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) 2.34 2.15 -6.68 0 6 0 63 382.313 5
Mid Mid (pH 6-8) 2.34 4.25 -42.07 1 6 1 64 383.321 5

Activity (Go SEA)

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