UCSF

ZINC31866459

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 31 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) 3.94 11.12 -16.92 1 6 0 61 435.597 8
Mid Mid (pH 6-8) 3.94 13.36 -59.83 2 6 1 63 436.605 8

Activity (Go SEA)

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