UCSF

ZINC00308382

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.86 9.14 -16.64 1 4 0 55 327.434 5
Mid Mid (pH 6-8) 3.93 8.25 -46.93 0 4 -1 61 326.426 5

Activity (Go SEA)

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