UCSF

ZINC43455523

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 3.52 8.9 -49.18 0 4 -1 58 251.35 7
Lo Low (pH 4.5-6) 3.52 9.19 -36.93 1 4 0 59 252.358 7

Activity (Go SEA)

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