UCSF

ZINC09529057

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 23 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) 2.31 -3.15 -12.53 2 5 0 67 333.457 7
Mid Mid (pH 6-8) 2.31 -2.9 -35.2 3 5 1 68 334.465 7

Activity (Go SEA)

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