UCSF

ZINC37760400

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 14 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) 0.73 3.25 -11.11 1 4 0 53 192.218 1
Hi High (pH 8-9.5) 0.73 2.38 -31.47 1 4 0 58 192.218 1
Mid Mid (pH 6-8) 0.73 4.25 -54.64 0 4 -1 56 191.21 1
Lo Low (pH 4.5-6) 0.73 1.62 -36.26 2 4 1 55 193.226 1

Activity (Go SEA)

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