UCSF

ZINC44884081

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 16 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) -0.12 4.24 -99.94 0 7 -2 98 219.204 3
Lo Low (pH 4.5-6) -0.12 4.39 -63.26 1 7 -1 100 220.212 3

Activity (Go SEA)

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