UCSF

ZINC35720454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 0.43 2.04 -59.69 2 6 -1 98 241.267 4
Lo Low (pH 4.5-6) 0.43 0.79 -12.41 3 6 0 95 242.275 4

Activity (Go SEA)

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