UCSF

ZINC62953393

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 3.20 4.86 -4.93 2 4 0 51 263.385 4
Lo Low (pH 4.5-6) 3.20 4.63 -29.56 3 4 1 53 264.393 4

Activity (Go SEA)

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