UCSF

ZINC49043470

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 3.25 6.79 -16.11 1 4 0 55 395.172 3
Mid Mid (pH 6-8) 3.32 6.19 -46.3 0 4 -1 61 394.164 3

Activity (Go SEA)

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