UCSF

ZINC22804341

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) 2.58 7.21 -42.31 2 5 1 50 331.465 4
Mid Mid (pH 6-8) 3.14 6.04 -31.54 2 5 1 53 331.465 3
Mid Mid (pH 6-8) 2.40 6.18 -34.28 1 5 0 56 330.457 4
Mid Mid (pH 6-8) 2.58 4.83 -10.61 1 5 0 48 330.457 4
Mid Mid (pH 6-8) 2.40 6.26 -52.88 1 5 0 56 330.457 4

Activity (Go SEA)

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