UCSF

ZINC34691581

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 29 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) 0.82 1.59 -11.93 1 7 0 65 405.539 8
Mid Mid (pH 6-8) 0.82 3.83 -55.65 2 7 1 67 406.547 8
Lo Low (pH 4.5-6) 0.82 5.98 -108.9 3 7 2 68 407.555 8

Activity (Go SEA)

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