UCSF

ZINC37319703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.97 9.65 -121.4 3 3 2 30 355.32 4
Hi High (pH 8-9.5) 2.97 7.81 -37.33 2 3 1 29 354.312 4
Mid Mid (pH 6-8) 2.97 8.59 -34.69 2 3 1 26 354.312 4

Activity (Go SEA)

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