UCSF

ZINC13660367

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 5.62 13.11 -11.07 0 3 0 29 335.426 2
Mid Mid (pH 6-8) 5.62 12.3 -19.6 1 3 1 30 336.434 2
Lo Low (pH 4.5-6) 5.62 13.46 -25.12 1 3 1 30 336.434 2

Activity (Go SEA)

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