UCSF

ZINC13728751

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

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) 1.93 6.12 -63.84 0 8 -1 95 443.451 8
Mid Mid (pH 6-8) 2.38 7.17 -58.36 2 8 1 94 445.467 7
Mid Mid (pH 6-8) 1.35 8.35 -57.54 1 8 1 90 445.467 8
Mid Mid (pH 6-8) 1.93 8.46 -75.26 1 8 0 96 444.459 8

Activity (Go SEA)

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