UCSF

ZINC02505453

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 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) 0.06 5.05 -126.26 2 5 -2 106 207.185 4
Mid Mid (pH 6-8) 0.06 3.15 -43.23 3 5 -1 103 208.193 4

Activity (Go SEA)

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