UCSF

ZINC20034665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 25 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) 4.21 6.77 -14.2 3 5 0 81 368.487 3
Hi High (pH 8-9.5) 4.28 5.69 -52.12 2 5 -1 87 367.479 3
Mid Mid (pH 6-8) 4.21 7.15 -40.13 4 5 1 82 369.495 3

Activity (Go SEA)

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