UCSF

ZINC36271986

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.17 10.1 -44.35 3 5 1 51 350.49 4
Hi High (pH 8-9.5) 3.17 7.81 -9.84 2 5 0 50 349.482 4
Mid Mid (pH 6-8) 3.17 9.25 -75.72 4 5 2 52 351.498 4
Mid Mid (pH 6-8) 3.17 8.9 -38.28 3 5 1 51 350.49 4

Activity (Go SEA)

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