UCSF

ZINC49050914

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 28 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) -3.89 -6.06 -151.58 7 16 -2 261 440.202 6
Mid Mid (pH 6-8) -3.89 -4.95 -269.96 6 16 -3 264 439.194 6

Activity (Go SEA)

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