UCSF

ZINC31960596

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) -0.40 -0.03 -52.06 5 7 1 94 308.406 7
Hi High (pH 8-9.5) -0.40 -0.35 -15.77 4 7 0 93 307.398 7
Mid Mid (pH 6-8) -0.40 2.3 -96.72 6 7 2 95 309.414 7

Activity (Go SEA)

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