UCSF

ZINC32610562

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 20 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) 3.16 5.5 -10.91 1 5 0 64 334.228 4
Mid Mid (pH 6-8) 3.16 5.62 -34.86 2 5 1 65 335.236 4
Mid Mid (pH 6-8) 3.16 5.53 -38.91 0 5 -1 66 333.22 4

Activity (Go SEA)

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