UCSF

ZINC08739155

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 25 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) 5.18 9.15 -19.19 1 5 0 64 394.283 5
Mid Mid (pH 6-8) 5.25 8.24 -42.58 0 5 -1 70 393.275 5

Activity (Go SEA)

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