UCSF

ZINC32614318

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 20 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) 0.97 3.98 -36.96 0 6 -1 93 267.268 3
Lo Low (pH 4.5-6) 0.51 4.81 -13.44 1 6 0 90 268.276 3

Activity (Go SEA)

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