UCSF

ZINC32195997

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.39 7.17 -7.04 1 3 0 30 303.377 9
Mid Mid (pH 6-8) 3.39 8.59 -51.99 2 3 1 35 304.385 9

Activity (Go SEA)

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