UCSF

ZINC60708426

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 21 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) 4.11 9.59 -48.23 2 2 1 29 307.82 7
Lo Low (pH 4.5-6) 4.11 10.06 -104.26 3 2 2 31 308.828 7

Activity (Go SEA)

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