UCSF

ZINC20353369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 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) 1.08 3.57 -36.83 3 4 1 47 219.312 1
Hi High (pH 8-9.5) 1.08 1.39 -7.17 2 4 0 45 218.304 1
Lo Low (pH 4.5-6) 1.08 4.01 -83.23 4 4 2 48 220.32 1

Activity (Go SEA)

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