UCSF

ZINC29915375

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 24 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) 1.37 6.16 -17.69 0 7 0 61 349.46 4
Mid Mid (pH 6-8) 1.37 8.48 -59.35 1 7 1 62 350.468 4

Activity (Go SEA)

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