UCSF

ZINC36460044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 16 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) 1.58 7.35 -43.09 3 3 1 45 216.308 6
Mid Mid (pH 6-8) 1.58 7.33 -51.21 3 3 1 45 216.308 6
Lo Low (pH 4.5-6) 1.58 7.81 -102.87 4 3 2 47 217.316 6

Activity (Go SEA)

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