UCSF

ZINC32114377

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.68 3.44 -45.88 3 4 1 57 267.324 3
Hi High (pH 8-9.5) 0.68 1.88 -9.78 2 4 0 53 266.316 3

Activity (Go SEA)

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