UCSF

ZINC04264985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 22 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) 1.51 2.12 -17.3 1 7 0 105 291.27 3
Hi High (pH 8-9.5) 1.57 -0.01 -46.62 0 7 -1 111 290.262 3

Activity (Go SEA)

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