UCSF

ZINC32105849

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 2.09 3.7 -40.61 3 3 1 40 251.394 7
Hi High (pH 8-9.5) 2.09 2.26 -2.89 2 3 0 35 250.386 7
Mid Mid (pH 6-8) 2.09 4.93 -39.24 3 3 1 37 251.394 7

Activity (Go SEA)

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