UCSF

ZINC13733119

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 1.42 3.89 -66.3 5 4 0 53 281.444 11
Mid Mid (pH 6-8) 1.42 3.79 -36.88 4 4 1 52 280.436 11
Mid Mid (pH 6-8) 1.42 5.25 -26.94 6 4 0 58 282.452 11

Activity (Go SEA)

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