UCSF

ZINC32130171

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 3.08 6.93 -40.69 3 3 1 37 285.411 6
Mid Mid (pH 6-8) 3.08 6.16 -45.06 3 3 1 40 285.411 6
Lo Low (pH 4.5-6) 3.08 8.27 -127.29 4 3 2 41 286.419 6

Activity (Go SEA)

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