UCSF

ZINC48520210

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 19 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) 1.08 5.04 -127.47 5 4 2 64 263.385 6
Mid Mid (pH 6-8) 1.08 5.16 -39.03 4 4 1 60 262.377 6

Activity (Go SEA)

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