UCSF

ZINC52294679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 0.40 2.41 -89 4 3 2 36 185.315 4
Hi High (pH 8-9.5) 0.40 1.05 -34.93 3 3 1 32 184.307 4

Activity (Go SEA)

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