UCSF

ZINC09561594

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 38 Yes

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) 7.30 17.24 -54.86 2 5 1 50 527.758 8
Mid Mid (pH 6-8) 7.30 15 -14.53 1 5 0 48 526.75 8

Activity (Go SEA)

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