UCSF

ZINC20396639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 11 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) 0.20 -1.18 -70.93 3 4 0 76 171.225 3
Lo Low (pH 4.5-6) -0.26 -0.06 -58.05 4 4 1 73 172.233 3

Activity (Go SEA)

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