UCSF

ZINC37052222

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) -1.11 3.95 -8.32 2 4 0 59 239.278 2
Mid Mid (pH 6-8) -1.11 4.26 -45.6 3 4 1 61 240.286 2
Lo Low (pH 4.5-6) -1.11 4.62 -89.31 4 4 2 62 241.294 2

Activity (Go SEA)

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