UCSF

ZINC09495396

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 32 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) 3.15 -4.59 -35.97 2 7 0 99 459.612 4
Mid Mid (pH 6-8) 4.52 4.33 -46.92 1 7 -1 106 458.604 4
Mid Mid (pH 6-8) 3.22 7.66 -52.16 3 7 1 104 460.62 4

Activity (Go SEA)

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