UCSF

ZINC32107563

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) -0.14 3.31 -49.54 3 5 1 66 253.322 7
Mid Mid (pH 6-8) -0.14 2.93 -11.62 2 5 0 65 252.314 7

Activity (Go SEA)

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