UCSF

ZINC39870290

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.13 4.17 -14.97 2 6 0 81 356.403 5
Hi High (pH 8-9.5) 4.13 4.2 -105.04 0 6 -2 86 354.387 5
Mid Mid (pH 6-8) 4.13 3.42 -47.95 1 6 -1 83 355.395 5

Activity (Go SEA)

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