UCSF

ZINC12371362

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 22 Yes

Other Names:

BRD-K14476424-001-01-7

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) 4.04 0.44 -10.26 1 4 0 47 314.772 4
Mid Mid (pH 6-8) 4.04 0.7 -40.53 2 4 1 48 315.78 4

Activity (Go SEA)

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