UCSF

ZINC42913748

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 2.95 6.67 -43.82 3 2 1 31 253.385 6
Hi High (pH 8-9.5) 2.95 7.58 -36.64 3 2 1 30 253.385 6

Activity (Go SEA)

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