UCSF

ZINC37110549

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 1.38 5.99 -36.35 1 3 1 31 174.264 6
Hi High (pH 8-9.5) 1.38 4.04 -4.12 0 3 0 30 173.256 6

Activity (Go SEA)

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