UCSF

ZINC32108118

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 17 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) 2.23 5.56 -7.95 0 3 0 30 253.729 4
Mid Mid (pH 6-8) 2.23 7.88 -44.99 1 3 1 31 254.737 4

Activity (Go SEA)

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