UCSF

ZINC35415504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) -0.02 3.93 -60.4 3 6 0 99 254.286 8
Hi High (pH 8-9.5) -0.02 2.69 -51 2 6 -1 94 253.278 8

Activity (Go SEA)

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