UCSF

ZINC38599414

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 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) 0.76 -0.43 -55.02 5 6 1 95 311.163 3
Hi High (pH 8-9.5) 0.76 -0.81 -11.34 4 6 0 93 310.155 3

Activity (Go SEA)

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