UCSF

ZINC36874085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 2.23 6.26 -38.69 3 3 1 45 246.309 2
Hi High (pH 8-9.5) 2.23 5.13 -6.57 2 3 0 41 245.301 2
Lo Low (pH 4.5-6) 2.23 6.63 -109.17 4 3 2 47 247.317 2

Activity (Go SEA)

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