UCSF

ZINC00117724

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 2.99 10.35 -15.02 0 6 0 62 318.336 2
Mid Mid (pH 6-8) 2.99 11.71 -49.28 2 6 1 66 319.344 2
Lo Low (pH 4.5-6) 2.99 10.7 -38.68 1 6 1 63 319.344 2

Activity (Go SEA)

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