UCSF

ZINC00952228

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 26 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) 2.97 11.61 -22.65 1 6 0 72 365.824 3
Mid Mid (pH 6-8) 2.97 12.44 -51.15 3 6 1 76 366.832 3
Lo Low (pH 4.5-6) 2.97 11.94 -45.09 2 6 1 74 366.832 3

Activity (Go SEA)

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