UCSF

ZINC36874137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.60 6.24 -43.04 3 4 1 69 239.302 2
Hi High (pH 8-9.5) 1.60 4.6 -9.1 2 4 0 65 238.294 2
Lo Low (pH 4.5-6) 1.60 6.67 -120.34 4 4 2 70 240.31 2

Activity (Go SEA)

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