UCSF

ZINC32499409

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 27 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) 3.85 10.19 -11.41 1 4 0 39 361.489 5
Mid Mid (pH 6-8) 3.85 12.47 -48.66 2 4 1 41 362.497 5

Activity (Go SEA)

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