UCSF

ZINC19518205

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 12 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) -0.09 -0.72 -36.26 4 4 1 64 172.252 3
Hi High (pH 8-9.5) -3.00 -0.73 -10.51 4 4 0 64 171.244 3
Mid Mid (pH 6-8) -0.09 1.62 -106.16 5 4 2 65 173.26 3

Activity (Go SEA)

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