UCSF

ZINC45650769

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 4.04 8.14 -41.01 2 2 1 20 283.439 4
Hi High (pH 8-9.5) 4.04 9.59 -34.39 2 2 1 16 283.439 4
Hi High (pH 8-9.5) 4.04 7.24 -3.01 1 2 0 15 282.431 4

Activity (Go SEA)

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