UCSF

ZINC31898829

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 35 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) 4.44 15.38 -53.53 2 6 1 68 505.689 7
Hi High (pH 8-9.5) 4.44 12.94 -18.41 1 6 0 67 504.681 7

Activity (Go SEA)

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