UCSF

ZINC34320106

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 13 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) 2.54 2.91 -29.67 1 3 -1 60 220.031 1
Mid Mid (pH 6-8) 2.54 0.56 -7.39 2 3 0 58 221.039 1
Mid Mid (pH 6-8) 2.54 2.1 -102.79 0 3 -2 63 219.023 1

Activity (Go SEA)

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