UCSF

ZINC44677401

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) 1.04 3.8 -43.01 3 2 1 31 203.309 2
Mid Mid (pH 6-8) 1.04 3.52 -2.76 2 2 0 29 202.301 2
Mid Mid (pH 6-8) 1.04 5.94 -31.96 3 2 1 30 203.309 2

Activity (Go SEA)

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