UCSF

ZINC37044713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.93 0.34 -53.63 5 6 1 103 318.394 6
Hi High (pH 8-9.5) 0.93 0.24 -50.86 3 6 -1 103 316.378 6
Mid Mid (pH 6-8) 0.93 0.53 -75.34 4 6 0 105 317.386 6

Activity (Go SEA)

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