UCSF

ZINC19807634

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 21 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) 3.27 5.19 -49.11 3 3 1 40 301.401 9
Mid Mid (pH 6-8) 3.27 7.02 -127.7 4 3 2 41 302.409 9
Mid Mid (pH 6-8) 3.27 6.98 -33.12 3 3 1 40 301.401 9

Activity (Go SEA)

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