UCSF

ZINC36913602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 2.18 6.92 -103.02 4 3 2 45 243.354 4
Hi High (pH 8-9.5) 2.18 6.58 -27.12 3 3 1 43 242.346 4
Hi High (pH 8-9.5) 2.18 6.48 -45.83 3 3 1 44 242.346 4

Activity (Go SEA)

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