UCSF

ZINC04137175

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 19 Yes

Other Names:

BRD-K25351095-001-01-7

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) 4.45 11.01 -25.64 1 2 1 19 253.369 1
Mid Mid (pH 6-8) 4.45 10.58 -8.52 0 2 0 17 252.361 1

Activity (Go SEA)

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