UCSF

ZINC44886064

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 2.23 3.65 -36.56 1 7 -1 95 349.168 3
Lo Low (pH 4.5-6) 2.23 3.91 -9.64 2 7 0 97 350.176 3

Activity (Go SEA)

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