UCSF

ZINC11958408

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2008 18 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) 0.69 2.14 -47.38 4 5 1 75 251.306 4
Hi High (pH 8-9.5) 0.69 1.86 -8.53 3 5 0 74 250.298 4

Activity (Go SEA)

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