UCSF

ZINC35421998

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 30 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) 0.80 8.1 -96.7 3 7 2 65 482.467 8
Hi High (pH 8-9.5) 0.80 4.44 -14.37 1 7 0 59 480.451 8
Hi High (pH 8-9.5) 0.80 6.72 -59.57 2 7 1 60 481.459 8
Mid Mid (pH 6-8) 0.80 6.81 -49.35 2 7 1 60 481.459 8

Activity (Go SEA)

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