UCSF

ZINC32074484

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 22 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) 3.97 8.64 -130.63 4 3 2 41 306.494 8
Hi High (pH 8-9.5) 3.97 8.27 -31.98 3 3 1 40 305.486 8

Activity (Go SEA)

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