UCSF

ZINC13650328

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 27 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) 0.79 11.88 -102.53 1 6 0 70 373.428 3
Hi High (pH 8-9.5) 0.79 9.71 -67.55 0 6 -1 69 372.42 3
Mid Mid (pH 6-8) 0.79 9.87 -57.38 2 6 1 67 374.436 3

Activity (Go SEA)

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