UCSF

ZINC09353257

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 36 No

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) 5.56 13.83 -56.12 0 8 -1 119 502.503 5
Mid Mid (pH 6-8) 6.00 13.11 -26.76 1 8 0 116 503.511 4

Activity (Go SEA)

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