UCSF

ZINC01119586

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 31 Yes

Other Names:

BRD-K68884042-001-05-0

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) 2.96 12.53 -12.99 1 10 0 94 430.509 8
Mid Mid (pH 6-8) 2.96 12.78 -34.5 2 10 1 95 431.517 8

Activity (Go SEA)

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