UCSF

ZINC41840813

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 19 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) 2.21 5.96 -46.97 0 4 -1 53 262.329 4
Mid Mid (pH 6-8) 2.21 7.29 -30.93 1 4 0 54 263.337 4

Activity (Go SEA)

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