UCSF

ZINC00572604

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 Yes

Other Names:

BRD-K55425276-001-01-3

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) 3.36 6.76 -11.75 1 3 0 38 266.344 3
Lo Low (pH 4.5-6) 3.36 7.5 -28.26 2 3 1 39 267.352 3

Activity (Go SEA)

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