UCSF

ZINC36305227

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) -0.02 0.31 -41.52 3 3 1 40 173.28 2
Hi High (pH 8-9.5) -0.02 -0.09 -1.63 2 3 0 38 172.272 2
Mid Mid (pH 6-8) -0.02 2.12 -107.01 4 3 2 41 174.288 2

Activity (Go SEA)

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