UCSF

ZINC36790408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 2.47 8.02 -30.25 3 2 1 30 263.449 7
Mid Mid (pH 6-8) 2.47 8.34 -112.16 4 2 2 32 264.457 7
Mid Mid (pH 6-8) 2.47 7.27 -44.04 3 2 1 31 263.449 7

Activity (Go SEA)

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