UCSF

ZINC34824045

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 3.50 9.76 -46.35 2 3 1 33 284.427 3
Hi High (pH 8-9.5) 3.50 8.28 -5.19 1 3 0 28 283.419 3
Mid Mid (pH 6-8) 3.50 10.26 -96.28 3 3 2 34 285.435 3

Activity (Go SEA)

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