UCSF

ZINC09495407

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 31 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) 2.65 7.58 -18.82 2 7 0 99 445.585 4
Mid Mid (pH 6-8) 3.95 7.42 -56.53 1 7 -1 102 444.577 4

Activity (Go SEA)

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