UCSF

ZINC32600511

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.84 14.65 -44.13 2 7 1 74 423.537 8
Hi High (pH 8-9.5) 1.84 12.37 -16.82 1 7 0 72 422.529 8

Activity (Go SEA)

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