UCSF

ZINC36999116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.99 4.59 -100.47 5 4 2 61 243.395 6
Hi High (pH 8-9.5) 1.17 2.22 -51.32 4 4 1 67 242.387 6
Hi High (pH 8-9.5) 1.17 1.88 -27.35 3 4 0 66 241.379 6
Hi High (pH 8-9.5) 0.99 4.3 -39.57 4 4 1 60 242.387 6

Activity (Go SEA)

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