UCSF

ZINC44244444

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) 0.03 0.64 -48.95 3 7 1 98 378.272 4
Hi High (pH 8-9.5) 0.03 -1.31 -13.51 2 7 0 97 377.264 4

Activity (Go SEA)

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