UCSF

ZINC33862455

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 18 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) 0.06 5.06 -56.18 3 4 1 61 268.406 2
Mid Mid (pH 6-8) 0.06 4.74 -8.49 2 4 0 59 267.398 2

Activity (Go SEA)

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