UCSF

ZINC37100666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 4.18 8.79 -33.44 2 2 1 16 255.47 6
Mid Mid (pH 6-8) 4.18 7.26 -0.6 2 2 0 20 255.47 6
Lo Low (pH 4.5-6) 4.18 9.48 -39.94 3 2 0 21 256.478 6

Activity (Go SEA)

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