UCSF

ZINC36983915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 1.39 3.84 -57.74 1 6 -1 99 291.308 5
Hi High (pH 8-9.5) 1.39 4.01 -95.11 0 6 -2 101 290.3 5

Activity (Go SEA)

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