UCSF

ZINC37187276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) 2.19 7.8 -47.85 2 3 1 34 216.308 4
Hi High (pH 8-9.5) 2.19 6.44 -8.54 1 3 0 29 215.3 4
Lo Low (pH 4.5-6) 2.19 8.25 -96.53 3 3 2 35 217.316 4

Activity (Go SEA)

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