UCSF

ZINC36155408

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 0.81 3.22 -41.28 2 2 1 20 175.255 0
Hi High (pH 8-9.5) 0.81 1.88 -3.43 1 2 0 15 174.247 0
Lo Low (pH 4.5-6) 0.81 5.5 -115.76 3 2 2 21 176.263 0

Activity (Go SEA)

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