UCSF

ZINC45692591

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 1.28 6.31 -49.71 2 4 1 51 311.471 6
Hi High (pH 8-9.5) 1.28 4.37 -54.45 2 4 1 54 311.471 6
Hi High (pH 8-9.5) 1.28 3.11 -12.16 1 4 0 49 310.463 6

Activity (Go SEA)

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