UCSF

ZINC31848700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 5.03 10.46 -22.09 2 6 0 88 448.573 5
Mid Mid (pH 6-8) 5.03 10.95 -18.95 2 6 0 88 448.573 5
Mid Mid (pH 6-8) 5.49 9.23 -53.72 1 6 -1 91 447.565 5

Activity (Go SEA)

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