UCSF

ZINC36871725

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -1.30 -1.29 -41.39 4 4 1 60 172.252 2
Hi High (pH 8-9.5) -1.30 -1.61 -6.04 3 4 0 58 171.244 2
Mid Mid (pH 6-8) -1.30 0.01 -99.99 5 4 2 65 173.26 2

Activity (Go SEA)

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