UCSF

ZINC36876305

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 0.91 4.03 -48.99 4 3 1 56 202.281 3
Mid Mid (pH 6-8) 0.91 4.37 -106.21 5 3 2 58 203.289 3
Lo Low (pH 4.5-6) 0.91 4.37 -106.16 5 3 2 58 203.289 3

Activity (Go SEA)

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