UCSF

ZINC08981194

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 33 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) 4.83 10.96 -54.28 0 6 -1 83 459.478 5
Mid Mid (pH 6-8) 5.28 10.32 -19.69 1 6 0 80 460.486 4

Activity (Go SEA)

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