UCSF

ZINC70613564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) 2.91 5.82 -31.28 2 2 1 16 211.373 3
Hi High (pH 8-9.5) 2.91 5.03 -37.46 2 2 1 20 211.373 3
Lo Low (pH 4.5-6) 2.91 7.26 -106.7 3 2 2 21 212.381 3

Activity (Go SEA)

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