UCSF

ZINC37430251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 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) 1.98 6.26 -48.62 1 5 -1 82 252.29 8
Lo Low (pH 4.5-6) 1.98 4.29 -11.24 2 5 0 80 253.298 8

Activity (Go SEA)

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