UCSF

ZINC36769655

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 1.10 4.97 -46.24 3 4 1 49 293.431 7
Hi High (pH 8-9.5) 1.10 4.22 -4.13 2 4 0 48 292.423 7
Lo Low (pH 4.5-6) 1.10 6.89 -136.38 4 4 2 51 294.439 7

Activity (Go SEA)

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