UCSF

ZINC34781480

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 27 No

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) -3.74 0.11 -382.34 2 15 -4 241 447.126 8
Mid Mid (pH 6-8) -3.74 -1.04 -243.63 3 15 -3 238 448.134 8

Activity (Go SEA)

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