UCSF

ZINC06145666

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 22 Yes

Other Names:

BRD-K84390227-001-02-2

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) 3.08 4.13 -12.52 1 5 0 69 298.294 3
Hi High (pH 8-9.5) 3.34 4.21 -45.11 0 5 -1 72 297.286 3

Activity (Go SEA)

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