UCSF

ZINC44274092

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) 3.16 6.68 -14.55 1 4 0 50 350.212 4
Hi High (pH 8-9.5) 3.16 7.72 -60.01 0 4 -1 53 349.204 4

Activity (Go SEA)

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