UCSF

ZINC44902102

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 30 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) 2.94 4.97 -25.01 1 8 0 114 440.506 4
Ref Reference (pH 7) 2.02 6.24 -28.66 1 8 0 111 440.506 5

Activity (Go SEA)

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