UCSF

ZINC34988600

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.76 6.64 -35.84 1 3 1 25 233.335 4
Mid Mid (pH 6-8) 1.76 4.35 -7.12 0 3 0 24 232.327 4
Mid Mid (pH 6-8) 1.76 6.55 -38.56 1 3 1 25 233.335 4

Activity (Go SEA)

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