UCSF

ZINC20420043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 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) -0.49 0.13 -49.68 4 5 1 73 240.327 7
Hi High (pH 8-9.5) -0.49 2.01 -36.76 4 5 1 73 240.327 7
Mid Mid (pH 6-8) -0.49 2.38 -106.92 5 5 2 74 241.335 7

Activity (Go SEA)

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