UCSF

ZINC37083278

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 3.71 8.32 -118.72 4 2 2 32 268.489 3
Hi High (pH 8-9.5) 3.71 6.3 -39.26 3 2 1 31 267.481 3
Hi High (pH 8-9.5) 3.71 8.22 -27.87 3 2 1 30 267.481 3

Activity (Go SEA)

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