UCSF

ZINC34142538

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 14 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) -0.20 0.8 -43.97 4 5 1 83 203.262 6
Hi High (pH 8-9.5) -0.20 0.47 -6.59 3 5 0 81 202.254 6

Activity (Go SEA)

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