UCSF

ZINC31897407

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 27 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) 3.88 13.36 -49.52 1 6 1 66 394.561 11
Mid Mid (pH 6-8) 3.88 11.29 -14.24 0 6 0 64 393.553 11

Activity (Go SEA)

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