UCSF

ZINC44610115

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -1.08 1.44 -50.72 3 8 1 90 263.329 3
Hi High (pH 8-9.5) -1.08 2.83 -43.24 3 8 1 90 263.329 3
Mid Mid (pH 6-8) -1.08 3.21 -127.28 4 8 2 91 264.337 3

Activity (Go SEA)

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