UCSF

ZINC37267240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 0.62 -1.04 -46.71 5 6 1 97 286.377 3
Hi High (pH 8-9.5) 0.62 -0.28 -61.73 4 6 0 100 285.369 3

Activity (Go SEA)

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