UCSF

ZINC34894374

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 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) 2.08 4.75 -110.14 6 4 2 57 382.437 16
Hi High (pH 8-9.5) 2.08 3.4 -40.82 5 4 1 53 381.429 16
Mid Mid (pH 6-8) 2.08 4.44 -93.63 6 4 2 57 382.437 16
Mid Mid (pH 6-8) 2.08 5.79 -200.32 7 4 3 62 383.445 16

Activity (Go SEA)

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