UCSF

ZINC42452604

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) -1.00 -1.75 -96.86 6 5 2 81 205.302 8
Hi High (pH 8-9.5) -1.00 -3.74 -51.61 5 5 1 80 204.294 8

Activity (Go SEA)

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