UCSF

ZINC12612778

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 28 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) 2.35 7.79 -47.26 2 7 1 68 385.488 7
Mid Mid (pH 6-8) 2.35 5.32 -14.88 1 7 0 67 384.48 7
Mid Mid (pH 6-8) 2.35 5.62 -43.29 2 7 1 68 385.488 7

Activity (Go SEA)

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