UCSF

ZINC29804033

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 32 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) 3.20 8.77 -17.83 1 6 0 62 447.457 6
Mid Mid (pH 6-8) 3.20 11.04 -66.29 2 6 1 63 448.465 6

Activity (Go SEA)

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