UCSF

ZINC17971747

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 22 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) 3.16 6.22 -10.07 0 5 0 49 301.342 6
Lo Low (pH 4.5-6) 3.16 6.18 -46.97 1 5 1 51 302.35 6
Lo Low (pH 4.5-6) 3.16 6.6 -42.1 1 5 1 51 302.35 6

Activity (Go SEA)

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