UCSF

ZINC36765328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 0.45 4.05 -85.04 4 3 2 35 213.369 6
Hi High (pH 8-9.5) 0.45 1.78 -41.79 3 3 1 34 212.361 6
Hi High (pH 8-9.5) 0.45 4.05 -96.12 4 3 2 35 213.369 6

Activity (Go SEA)

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