UCSF

ZINC37286614

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 13 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) 0.77 2.92 -7.93 1 3 0 38 199.172 7
Mid Mid (pH 6-8) 0.77 4.25 -49.01 2 3 1 43 200.18 7

Activity (Go SEA)

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