UCSF

ZINC31898648

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 36 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) 4.64 15.33 -62.97 2 7 1 78 503.648 7
Hi High (pH 8-9.5) 4.64 12.89 -23.16 1 7 0 76 502.64 7

Activity (Go SEA)

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