UCSF

ZINC36319419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 1.19 5.15 -57.44 1 5 -1 78 254.306 3
Lo Low (pH 4.5-6) 1.19 3.17 -11.19 2 5 0 76 255.314 3

Activity (Go SEA)

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