UCSF

ZINC03074265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.44 -4.72 -10.83 1 4 0 59 308.428 3
Hi High (pH 8-9.5) 3.44 -4.17 -45.38 0 4 -1 61 307.42 3

Activity (Go SEA)

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